N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C13H21N3S — CID 107268832

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCSC1(CNc2cc(C(C)C)ncn2)CCC1
InChIInChI=1S/C13H21N3S/c1-10(2)11-7-12(16-9-15-11)14-8-13(17-3)5-4-6-13/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHFELUZDYSWSHMP-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.30
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 107268832) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID107268832
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCSC1(CNc2cc(C(C)C)ncn2)CCC1
InChIInChI=1S/C13H21N3S/c1-10(2)11-7-12(16-9-15-11)14-8-13(17-3)5-4-6-13/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHFELUZDYSWSHMP-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
CID 114759145
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
1-[(6-propan-2-ylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81164237
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
N-[1-(chloromethyl)cyclopentyl]-6-propan-2-ylpyrimidin-4-amine
CID 65029648
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
CID 107268844
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 107268832) is N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CSC1(CNc2cc(C(C)C)ncn2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HFELUZDYSWSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(2)11-7-12(16-9-15-11)14-8-13(17-3)5-4-6-13/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107268832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).